USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 GLN :FLIP amide:sc= 0.24 F(o=-3.6,f=1.5) USER MOD Set 1.2: A 98 SER OG : rot -61:sc= 1.23 USER MOD Set 2.1: A 66 HIS :FLIP no HE2:sc= -4.21 F(o=-9.8!,f=-8.7) USER MOD Set 2.2: A 70 GLN :FLIP amide:sc= -4.5! C(o=-14!,f=-8.7!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0.674 USER MOD Set 3.2: A 83 LYS NZ :NH3+ -126:sc= 0.626 (180deg=-0.493) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.346 F(o=-1.4,f=-0.35) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.56 USER MOD Single : A 40 SER OG : rot 152:sc= -0.814 USER MOD Single : A 41 LYS NZ :NH3+ -148:sc= -0.43 (180deg=-1.8!) USER MOD Single : A 46 ASN : amide:sc= -0.0783 K(o=-0.078,f=-0.92) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 61 THR OG1 : rot -65:sc= 1.24 USER MOD Single : A 63 SER OG : rot -41:sc= 0.904 USER MOD Single : A 64 MET CE :methyl -157:sc= -2.21 (180deg=-3.95) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.919 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 26:sc= 0.999 USER MOD Single : A 97 SER OG : rot 180:sc= -0.69 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0013 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.736 10.960 -7.726 1.00 0.00 N ATOM 2 CA GLY A 1 -27.503 11.398 -8.355 1.00 0.00 C ATOM 3 C GLY A 1 -26.492 10.277 -8.491 1.00 0.00 C ATOM 4 O GLY A 1 -26.215 9.813 -9.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.394 11.762 -7.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.168 10.206 -8.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.530 10.597 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.726 11.804 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.067 12.207 -7.769 1.00 0.00 H new ATOM 8 N SER A 2 -25.938 9.842 -7.364 1.00 0.00 N ATOM 9 CA SER A 2 -24.947 8.772 -7.364 1.00 0.00 C ATOM 10 C SER A 2 -25.490 7.529 -6.666 1.00 0.00 C ATOM 11 O SER A 2 -26.548 7.569 -6.037 1.00 0.00 O ATOM 12 CB SER A 2 -23.663 9.238 -6.673 1.00 0.00 C ATOM 13 OG SER A 2 -23.767 9.113 -5.266 1.00 0.00 O ATOM 0 H SER A 2 -26.158 10.214 -6.440 1.00 0.00 H new ATOM 0 HA SER A 2 -24.723 8.518 -8.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.819 8.649 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.462 10.277 -6.935 1.00 0.00 H new ATOM 0 HG SER A 2 -22.934 9.415 -4.848 1.00 0.00 H new ATOM 19 N SER A 3 -24.759 6.425 -6.783 1.00 0.00 N ATOM 20 CA SER A 3 -25.169 5.168 -6.168 1.00 0.00 C ATOM 21 C SER A 3 -24.078 4.635 -5.244 1.00 0.00 C ATOM 22 O SER A 3 -24.083 3.462 -4.872 1.00 0.00 O ATOM 23 CB SER A 3 -25.493 4.131 -7.245 1.00 0.00 C ATOM 24 OG SER A 3 -24.599 4.234 -8.339 1.00 0.00 O ATOM 0 H SER A 3 -23.880 6.376 -7.298 1.00 0.00 H new ATOM 0 HA SER A 3 -26.064 5.356 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.436 3.130 -6.818 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.516 4.272 -7.593 1.00 0.00 H new ATOM 0 HG SER A 3 -24.827 3.559 -9.012 1.00 0.00 H new ATOM 30 N GLY A 4 -23.142 5.506 -4.878 1.00 0.00 N ATOM 31 CA GLY A 4 -22.058 5.105 -4.002 1.00 0.00 C ATOM 32 C GLY A 4 -20.694 5.410 -4.590 1.00 0.00 C ATOM 33 O GLY A 4 -20.482 5.261 -5.793 1.00 0.00 O ATOM 0 H GLY A 4 -23.116 6.482 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.160 5.617 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.133 4.036 -3.802 1.00 0.00 H new ATOM 37 N SER A 5 -19.767 5.840 -3.740 1.00 0.00 N ATOM 38 CA SER A 5 -18.418 6.172 -4.183 1.00 0.00 C ATOM 39 C SER A 5 -17.403 5.179 -3.625 1.00 0.00 C ATOM 40 O SER A 5 -16.520 4.709 -4.342 1.00 0.00 O ATOM 41 CB SER A 5 -18.051 7.592 -3.749 1.00 0.00 C ATOM 42 OG SER A 5 -17.134 8.181 -4.654 1.00 0.00 O ATOM 0 H SER A 5 -19.926 5.967 -2.740 1.00 0.00 H new ATOM 0 HA SER A 5 -18.395 6.115 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.952 8.202 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.617 7.569 -2.750 1.00 0.00 H new ATOM 0 HG SER A 5 -16.917 9.089 -4.355 1.00 0.00 H new ATOM 48 N SER A 6 -17.537 4.864 -2.341 1.00 0.00 N ATOM 49 CA SER A 6 -16.630 3.930 -1.684 1.00 0.00 C ATOM 50 C SER A 6 -16.188 2.833 -2.648 1.00 0.00 C ATOM 51 O SER A 6 -17.016 2.146 -3.246 1.00 0.00 O ATOM 52 CB SER A 6 -17.304 3.308 -0.460 1.00 0.00 C ATOM 53 OG SER A 6 -16.411 2.453 0.234 1.00 0.00 O ATOM 0 H SER A 6 -18.265 5.242 -1.735 1.00 0.00 H new ATOM 0 HA SER A 6 -15.748 4.484 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.651 4.096 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.183 2.745 -0.772 1.00 0.00 H new ATOM 0 HG SER A 6 -16.865 2.069 1.013 1.00 0.00 H new ATOM 59 N GLY A 7 -14.876 2.675 -2.794 1.00 0.00 N ATOM 60 CA GLY A 7 -14.346 1.661 -3.687 1.00 0.00 C ATOM 61 C GLY A 7 -13.182 0.904 -3.078 1.00 0.00 C ATOM 62 O GLY A 7 -12.168 1.499 -2.714 1.00 0.00 O ATOM 0 H GLY A 7 -14.171 3.231 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.138 0.958 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.023 2.132 -4.616 1.00 0.00 H new ATOM 66 N ASN A 8 -13.329 -0.412 -2.964 1.00 0.00 N ATOM 67 CA ASN A 8 -12.282 -1.251 -2.393 1.00 0.00 C ATOM 68 C ASN A 8 -11.368 -1.800 -3.484 1.00 0.00 C ATOM 69 O ASN A 8 -11.751 -1.871 -4.652 1.00 0.00 O ATOM 70 CB ASN A 8 -12.900 -2.405 -1.601 1.00 0.00 C ATOM 71 CG ASN A 8 -13.648 -3.381 -2.489 1.00 0.00 C ATOM 72 OD1 ASN A 8 -12.905 -4.215 -3.208 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -14.878 -3.384 -2.529 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.163 -0.920 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.685 -0.636 -1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.114 -2.936 -1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.582 -2.003 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.408 -2.725 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.367 -4.046 -3.132 1.00 0.00 H new ATOM 80 N VAL A 9 -10.158 -2.189 -3.095 1.00 0.00 N ATOM 81 CA VAL A 9 -9.190 -2.734 -4.039 1.00 0.00 C ATOM 82 C VAL A 9 -8.343 -3.823 -3.391 1.00 0.00 C ATOM 83 O VAL A 9 -7.562 -3.556 -2.477 1.00 0.00 O ATOM 84 CB VAL A 9 -8.261 -1.635 -4.587 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.134 -2.247 -5.405 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.052 -0.636 -5.419 1.00 0.00 C ATOM 0 H VAL A 9 -9.825 -2.137 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.759 -3.163 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.819 -1.103 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.488 -1.455 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.552 -2.920 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.554 -2.805 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.380 0.134 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.523 -1.152 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.820 -0.174 -4.799 1.00 0.00 H new ATOM 96 N VAL A 10 -8.502 -5.053 -3.869 1.00 0.00 N ATOM 97 CA VAL A 10 -7.750 -6.184 -3.338 1.00 0.00 C ATOM 98 C VAL A 10 -6.835 -6.783 -4.399 1.00 0.00 C ATOM 99 O VAL A 10 -7.290 -7.488 -5.301 1.00 0.00 O ATOM 100 CB VAL A 10 -8.690 -7.282 -2.806 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.948 -8.203 -1.849 1.00 0.00 C ATOM 102 CG2 VAL A 10 -9.904 -6.663 -2.129 1.00 0.00 C ATOM 0 H VAL A 10 -9.145 -5.292 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.145 -5.804 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.038 -7.878 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.628 -8.972 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.114 -8.674 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.569 -7.624 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.557 -7.454 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.578 -6.042 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.448 -6.050 -2.847 1.00 0.00 H new ATOM 112 N LEU A 11 -5.542 -6.499 -4.287 1.00 0.00 N ATOM 113 CA LEU A 11 -4.561 -7.010 -5.237 1.00 0.00 C ATOM 114 C LEU A 11 -3.978 -8.336 -4.757 1.00 0.00 C ATOM 115 O LEU A 11 -3.665 -8.514 -3.580 1.00 0.00 O ATOM 116 CB LEU A 11 -3.439 -5.991 -5.440 1.00 0.00 C ATOM 117 CG LEU A 11 -3.881 -4.556 -5.733 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.706 -3.600 -5.606 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.500 -4.462 -7.120 1.00 0.00 C ATOM 0 H LEU A 11 -5.149 -5.917 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.066 -7.179 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.816 -5.983 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.810 -6.332 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.636 -4.271 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.039 -2.584 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.306 -3.647 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.929 -3.882 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.809 -3.434 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.767 -4.766 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.369 -5.118 -7.176 1.00 0.00 H new ATOM 131 N PRO A 12 -3.826 -9.288 -5.689 1.00 0.00 N ATOM 132 CA PRO A 12 -3.277 -10.613 -5.386 1.00 0.00 C ATOM 133 C PRO A 12 -1.790 -10.562 -5.055 1.00 0.00 C ATOM 134 O PRO A 12 -0.979 -10.111 -5.863 1.00 0.00 O ATOM 135 CB PRO A 12 -3.512 -11.398 -6.678 1.00 0.00 C ATOM 136 CG PRO A 12 -3.566 -10.362 -7.747 1.00 0.00 C ATOM 137 CD PRO A 12 -4.179 -9.144 -7.112 1.00 0.00 C ATOM 0 HA PRO A 12 -3.747 -11.059 -4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.708 -12.112 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.440 -11.968 -6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.569 -10.143 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.163 -10.704 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.776 -8.224 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.259 -9.115 -7.257 1.00 0.00 H new ATOM 145 N GLY A 13 -1.437 -11.029 -3.861 1.00 0.00 N ATOM 146 CA GLY A 13 -0.047 -11.028 -3.445 1.00 0.00 C ATOM 147 C GLY A 13 0.517 -12.428 -3.304 1.00 0.00 C ATOM 148 O GLY A 13 -0.018 -13.394 -3.849 1.00 0.00 O ATOM 0 H GLY A 13 -2.089 -11.408 -3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.546 -10.472 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.044 -10.505 -2.493 1.00 0.00 H new ATOM 152 N PRO A 14 1.625 -12.551 -2.559 1.00 0.00 N ATOM 153 CA PRO A 14 2.272 -11.409 -1.906 1.00 0.00 C ATOM 154 C PRO A 14 2.932 -10.467 -2.907 1.00 0.00 C ATOM 155 O PRO A 14 2.726 -10.586 -4.114 1.00 0.00 O ATOM 156 CB PRO A 14 3.327 -12.062 -1.010 1.00 0.00 C ATOM 157 CG PRO A 14 3.622 -13.368 -1.664 1.00 0.00 C ATOM 158 CD PRO A 14 2.333 -13.816 -2.296 1.00 0.00 C ATOM 0 HA PRO A 14 1.557 -10.791 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.222 -11.444 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.953 -12.202 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.407 -13.261 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.974 -14.098 -0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.509 -14.377 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.763 -14.465 -1.631 1.00 0.00 H new ATOM 166 N ALA A 15 3.726 -9.531 -2.397 1.00 0.00 N ATOM 167 CA ALA A 15 4.418 -8.570 -3.247 1.00 0.00 C ATOM 168 C ALA A 15 5.518 -9.246 -4.057 1.00 0.00 C ATOM 169 O ALA A 15 5.899 -10.388 -3.799 1.00 0.00 O ATOM 170 CB ALA A 15 4.997 -7.442 -2.405 1.00 0.00 C ATOM 0 H ALA A 15 3.906 -9.418 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 15 3.693 -8.152 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.511 -6.732 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.192 -6.933 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.704 -7.852 -1.684 1.00 0.00 H new ATOM 176 N PRO A 16 6.040 -8.528 -5.062 1.00 0.00 N ATOM 177 CA PRO A 16 5.594 -7.168 -5.379 1.00 0.00 C ATOM 178 C PRO A 16 4.185 -7.142 -5.963 1.00 0.00 C ATOM 179 O PRO A 16 3.661 -8.171 -6.389 1.00 0.00 O ATOM 180 CB PRO A 16 6.612 -6.694 -6.419 1.00 0.00 C ATOM 181 CG PRO A 16 7.121 -7.944 -7.049 1.00 0.00 C ATOM 182 CD PRO A 16 7.107 -8.988 -5.967 1.00 0.00 C ATOM 0 HA PRO A 16 5.546 -6.537 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.148 -6.039 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.419 -6.128 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.492 -8.243 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.128 -7.801 -7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.894 -9.979 -6.368 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.068 -9.050 -5.456 1.00 0.00 H new ATOM 190 N TRP A 17 3.579 -5.961 -5.979 1.00 0.00 N ATOM 191 CA TRP A 17 2.230 -5.801 -6.512 1.00 0.00 C ATOM 192 C TRP A 17 2.269 -5.295 -7.950 1.00 0.00 C ATOM 193 O TRP A 17 1.654 -5.880 -8.840 1.00 0.00 O ATOM 194 CB TRP A 17 1.427 -4.835 -5.640 1.00 0.00 C ATOM 195 CG TRP A 17 1.496 -5.157 -4.178 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.230 -4.505 -3.229 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.807 -6.213 -3.499 1.00 0.00 C ATOM 198 NE1 TRP A 17 2.038 -5.091 -2.001 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.169 -6.140 -2.140 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.083 -7.211 -3.907 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.673 -7.029 -1.189 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.574 -8.092 -2.962 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.196 -7.996 -1.616 1.00 0.00 C ATOM 0 H TRP A 17 3.999 -5.100 -5.629 1.00 0.00 H new ATOM 0 HA TRP A 17 1.744 -6.777 -6.503 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.795 -3.821 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.385 -4.849 -5.959 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.868 -3.654 -3.416 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.472 -4.793 -1.128 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.381 -7.292 -4.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.964 -6.958 -0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.261 -8.868 -3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.598 -8.699 -0.902 1.00 0.00 H new ATOM 214 N GLY A 18 2.997 -4.204 -8.169 1.00 0.00 N ATOM 215 CA GLY A 18 3.101 -3.638 -9.502 1.00 0.00 C ATOM 216 C GLY A 18 2.656 -2.190 -9.553 1.00 0.00 C ATOM 217 O GLY A 18 2.823 -1.518 -10.571 1.00 0.00 O ATOM 0 H GLY A 18 3.516 -3.702 -7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.133 -3.710 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.495 -4.226 -10.191 1.00 0.00 H new ATOM 221 N PHE A 19 2.086 -1.709 -8.454 1.00 0.00 N ATOM 222 CA PHE A 19 1.613 -0.331 -8.379 1.00 0.00 C ATOM 223 C PHE A 19 2.551 0.521 -7.530 1.00 0.00 C ATOM 224 O PHE A 19 3.191 0.024 -6.603 1.00 0.00 O ATOM 225 CB PHE A 19 0.198 -0.287 -7.796 1.00 0.00 C ATOM 226 CG PHE A 19 0.168 -0.289 -6.295 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.215 -1.480 -5.589 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.094 0.901 -5.589 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.186 -1.484 -4.207 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.065 0.903 -4.207 1.00 0.00 C ATOM 231 CZ PHE A 19 0.113 -0.291 -3.515 1.00 0.00 C ATOM 0 H PHE A 19 1.940 -2.252 -7.603 1.00 0.00 H new ATOM 0 HA PHE A 19 1.596 0.077 -9.390 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.309 0.607 -8.160 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.365 -1.145 -8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.275 -2.416 -6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.059 1.838 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.220 -2.420 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.005 1.838 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.094 -0.292 -2.435 1.00 0.00 H new ATOM 241 N ARG A 20 2.629 1.807 -7.855 1.00 0.00 N ATOM 242 CA ARG A 20 3.491 2.729 -7.124 1.00 0.00 C ATOM 243 C ARG A 20 2.662 3.705 -6.293 1.00 0.00 C ATOM 244 O ARG A 20 1.432 3.707 -6.362 1.00 0.00 O ATOM 245 CB ARG A 20 4.387 3.501 -8.094 1.00 0.00 C ATOM 246 CG ARG A 20 4.864 2.671 -9.274 1.00 0.00 C ATOM 247 CD ARG A 20 5.783 1.544 -8.827 1.00 0.00 C ATOM 248 NE ARG A 20 7.175 1.977 -8.734 1.00 0.00 N ATOM 249 CZ ARG A 20 7.704 2.522 -7.644 1.00 0.00 C ATOM 250 NH1 ARG A 20 6.961 2.699 -6.560 1.00 0.00 N ATOM 251 NH2 ARG A 20 8.978 2.890 -7.637 1.00 0.00 N ATOM 0 H ARG A 20 2.106 2.234 -8.619 1.00 0.00 H new ATOM 0 HA ARG A 20 4.117 2.145 -6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.842 4.368 -8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.254 3.879 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.004 2.254 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.390 3.312 -9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.454 1.171 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.708 0.714 -9.530 1.00 0.00 H new ATOM 0 HE ARG A 20 7.774 1.854 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.981 2.416 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.370 3.118 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.553 2.755 -8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.383 3.308 -6.800 1.00 0.00 H new ATOM 265 N LEU A 21 3.344 4.533 -5.509 1.00 0.00 N ATOM 266 CA LEU A 21 2.671 5.514 -4.665 1.00 0.00 C ATOM 267 C LEU A 21 3.433 6.836 -4.653 1.00 0.00 C ATOM 268 O LEU A 21 4.662 6.855 -4.709 1.00 0.00 O ATOM 269 CB LEU A 21 2.533 4.979 -3.238 1.00 0.00 C ATOM 270 CG LEU A 21 3.707 4.151 -2.716 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.016 4.904 -2.900 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.497 3.792 -1.252 1.00 0.00 C ATOM 0 H LEU A 21 4.362 4.545 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 21 1.678 5.692 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.384 5.825 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.632 4.368 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 21 3.760 3.227 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.840 4.299 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.172 5.109 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.975 5.844 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.342 3.203 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.417 4.705 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.580 3.211 -1.148 1.00 0.00 H new ATOM 284 N SER A 22 2.694 7.938 -4.577 1.00 0.00 N ATOM 285 CA SER A 22 3.300 9.264 -4.559 1.00 0.00 C ATOM 286 C SER A 22 2.511 10.210 -3.658 1.00 0.00 C ATOM 287 O SER A 22 1.294 10.335 -3.786 1.00 0.00 O ATOM 288 CB SER A 22 3.372 9.834 -5.977 1.00 0.00 C ATOM 289 OG SER A 22 4.356 10.849 -6.069 1.00 0.00 O ATOM 0 H SER A 22 1.675 7.939 -4.527 1.00 0.00 H new ATOM 0 HA SER A 22 4.310 9.169 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.602 9.035 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.400 10.239 -6.259 1.00 0.00 H new ATOM 0 HG SER A 22 4.384 11.196 -6.985 1.00 0.00 H new ATOM 295 N GLY A 23 3.215 10.873 -2.746 1.00 0.00 N ATOM 296 CA GLY A 23 2.565 11.799 -1.837 1.00 0.00 C ATOM 297 C GLY A 23 3.168 11.765 -0.446 1.00 0.00 C ATOM 298 O GLY A 23 4.372 11.567 -0.289 1.00 0.00 O ATOM 0 H GLY A 23 4.223 10.786 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.640 12.810 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.504 11.559 -1.776 1.00 0.00 H new ATOM 302 N GLY A 24 2.328 11.960 0.566 1.00 0.00 N ATOM 303 CA GLY A 24 2.804 11.948 1.937 1.00 0.00 C ATOM 304 C GLY A 24 2.262 13.108 2.749 1.00 0.00 C ATOM 305 O GLY A 24 2.534 14.269 2.442 1.00 0.00 O ATOM 0 H GLY A 24 1.327 12.126 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.514 11.010 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.893 11.984 1.940 1.00 0.00 H new ATOM 309 N ILE A 25 1.491 12.794 3.785 1.00 0.00 N ATOM 310 CA ILE A 25 0.909 13.820 4.642 1.00 0.00 C ATOM 311 C ILE A 25 1.959 14.841 5.067 1.00 0.00 C ATOM 312 O ILE A 25 1.627 15.960 5.459 1.00 0.00 O ATOM 313 CB ILE A 25 0.268 13.205 5.900 1.00 0.00 C ATOM 314 CG1 ILE A 25 1.286 12.339 6.646 1.00 0.00 C ATOM 315 CG2 ILE A 25 -0.957 12.386 5.523 1.00 0.00 C ATOM 316 CD1 ILE A 25 1.060 12.295 8.141 1.00 0.00 C ATOM 0 H ILE A 25 1.255 11.838 4.051 1.00 0.00 H new ATOM 0 HA ILE A 25 0.136 14.319 4.057 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.048 14.012 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.247 11.324 6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.288 12.719 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.399 11.958 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.687 13.029 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.664 11.584 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.818 11.663 8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.128 13.303 8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.071 11.886 8.348 1.00 0.00 H new ATOM 328 N ASP A 26 3.225 14.449 4.984 1.00 0.00 N ATOM 329 CA ASP A 26 4.324 15.331 5.358 1.00 0.00 C ATOM 330 C ASP A 26 4.666 16.286 4.218 1.00 0.00 C ATOM 331 O ASP A 26 5.072 17.425 4.450 1.00 0.00 O ATOM 332 CB ASP A 26 5.558 14.511 5.739 1.00 0.00 C ATOM 333 CG ASP A 26 6.643 15.359 6.374 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.337 16.089 7.339 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.799 15.292 5.904 1.00 0.00 O ATOM 0 H ASP A 26 3.516 13.526 4.661 1.00 0.00 H new ATOM 0 HA ASP A 26 4.008 15.919 6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.266 13.721 6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.956 14.024 4.849 1.00 0.00 H new ATOM 340 N PHE A 27 4.499 15.814 2.987 1.00 0.00 N ATOM 341 CA PHE A 27 4.792 16.625 1.811 1.00 0.00 C ATOM 342 C PHE A 27 3.566 17.427 1.385 1.00 0.00 C ATOM 343 O PHE A 27 3.534 18.001 0.297 1.00 0.00 O ATOM 344 CB PHE A 27 5.261 15.737 0.657 1.00 0.00 C ATOM 345 CG PHE A 27 6.555 15.027 0.935 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.762 15.703 0.856 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.564 13.684 1.276 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.954 15.051 1.110 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.753 13.028 1.532 1.00 0.00 C ATOM 350 CZ PHE A 27 8.950 13.712 1.450 1.00 0.00 C ATOM 0 H PHE A 27 4.162 14.874 2.778 1.00 0.00 H new ATOM 0 HA PHE A 27 5.589 17.322 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.489 14.998 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.376 16.349 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.771 16.750 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.631 13.144 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.888 15.588 1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.746 11.981 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.880 13.202 1.651 1.00 0.00 H new ATOM 360 N ASN A 28 2.557 17.460 2.250 1.00 0.00 N ATOM 361 CA ASN A 28 1.328 18.190 1.964 1.00 0.00 C ATOM 362 C ASN A 28 0.742 17.763 0.621 1.00 0.00 C ATOM 363 O ASN A 28 0.358 18.602 -0.193 1.00 0.00 O ATOM 364 CB ASN A 28 1.593 19.697 1.962 1.00 0.00 C ATOM 365 CG ASN A 28 2.292 20.162 3.224 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.892 19.810 4.334 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.342 20.959 3.059 1.00 0.00 N ATOM 0 H ASN A 28 2.567 16.989 3.155 1.00 0.00 H new ATOM 0 HA ASN A 28 0.606 17.957 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.203 19.955 1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.648 20.229 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.852 21.305 3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.638 21.225 2.120 1.00 0.00 H new ATOM 374 N GLN A 29 0.678 16.455 0.398 1.00 0.00 N ATOM 375 CA GLN A 29 0.140 15.917 -0.846 1.00 0.00 C ATOM 376 C GLN A 29 -0.568 14.588 -0.603 1.00 0.00 C ATOM 377 O GLN A 29 -0.157 13.781 0.230 1.00 0.00 O ATOM 378 CB GLN A 29 1.259 15.733 -1.872 1.00 0.00 C ATOM 379 CG GLN A 29 1.514 16.967 -2.723 1.00 0.00 C ATOM 380 CD GLN A 29 2.853 16.921 -3.431 1.00 0.00 C ATOM 381 OE1 GLN A 29 3.737 17.737 -3.166 1.00 0.00 O ATOM 382 NE2 GLN A 29 3.012 15.963 -4.337 1.00 0.00 N ATOM 0 H GLN A 29 0.992 15.748 1.062 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.587 16.629 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.178 15.465 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.008 14.897 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.719 17.064 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.472 17.854 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.253 15.308 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.893 15.882 -4.845 1.00 0.00 H new ATOM 391 N PRO A 30 -1.659 14.354 -1.347 1.00 0.00 N ATOM 392 CA PRO A 30 -2.448 13.124 -1.231 1.00 0.00 C ATOM 393 C PRO A 30 -1.703 11.905 -1.765 1.00 0.00 C ATOM 394 O PRO A 30 -1.010 11.984 -2.780 1.00 0.00 O ATOM 395 CB PRO A 30 -3.684 13.412 -2.087 1.00 0.00 C ATOM 396 CG PRO A 30 -3.232 14.434 -3.073 1.00 0.00 C ATOM 397 CD PRO A 30 -2.207 15.273 -2.360 1.00 0.00 C ATOM 0 HA PRO A 30 -2.678 12.885 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.039 12.510 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.508 13.785 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.803 13.961 -3.956 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.068 15.045 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.434 15.628 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.657 16.154 -1.902 1.00 0.00 H new ATOM 405 N LEU A 31 -1.849 10.779 -1.075 1.00 0.00 N ATOM 406 CA LEU A 31 -1.190 9.543 -1.481 1.00 0.00 C ATOM 407 C LEU A 31 -1.837 8.967 -2.736 1.00 0.00 C ATOM 408 O LEU A 31 -2.840 8.257 -2.660 1.00 0.00 O ATOM 409 CB LEU A 31 -1.246 8.517 -0.348 1.00 0.00 C ATOM 410 CG LEU A 31 -0.279 8.747 0.815 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.604 7.814 1.971 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.159 8.553 0.358 1.00 0.00 C ATOM 0 H LEU A 31 -2.418 10.697 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.148 9.772 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.261 8.498 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.049 7.531 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.394 9.774 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.094 7.992 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.621 8.001 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.518 6.779 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.833 8.720 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.288 7.537 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.387 9.263 -0.437 1.00 0.00 H new ATOM 424 N VAL A 32 -1.256 9.276 -3.891 1.00 0.00 N ATOM 425 CA VAL A 32 -1.774 8.787 -5.163 1.00 0.00 C ATOM 426 C VAL A 32 -0.736 7.938 -5.888 1.00 0.00 C ATOM 427 O VAL A 32 0.466 8.183 -5.781 1.00 0.00 O ATOM 428 CB VAL A 32 -2.202 9.948 -6.079 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.384 10.694 -5.479 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.034 10.893 -6.322 1.00 0.00 C ATOM 0 H VAL A 32 -0.426 9.863 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.646 8.174 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.512 9.535 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.672 11.511 -6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.224 10.010 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.104 11.097 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.354 11.708 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.692 11.300 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.219 10.349 -6.798 1.00 0.00 H new ATOM 440 N ILE A 33 -1.208 6.939 -6.627 1.00 0.00 N ATOM 441 CA ILE A 33 -0.321 6.054 -7.372 1.00 0.00 C ATOM 442 C ILE A 33 0.545 6.841 -8.350 1.00 0.00 C ATOM 443 O ILE A 33 0.100 7.829 -8.935 1.00 0.00 O ATOM 444 CB ILE A 33 -1.113 4.987 -8.149 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.872 4.078 -7.180 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.179 4.170 -9.029 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.934 3.233 -7.850 1.00 0.00 C ATOM 0 H ILE A 33 -2.200 6.722 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 33 0.318 5.559 -6.641 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.838 5.489 -8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.161 3.422 -6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.340 4.691 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.754 3.420 -9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.320 4.829 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.567 3.675 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.431 2.614 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.667 3.882 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.470 2.593 -8.601 1.00 0.00 H new ATOM 459 N THR A 34 1.785 6.395 -8.524 1.00 0.00 N ATOM 460 CA THR A 34 2.714 7.056 -9.432 1.00 0.00 C ATOM 461 C THR A 34 2.700 6.400 -10.808 1.00 0.00 C ATOM 462 O THR A 34 2.716 7.083 -11.832 1.00 0.00 O ATOM 463 CB THR A 34 4.152 7.033 -8.880 1.00 0.00 C ATOM 464 OG1 THR A 34 4.903 5.991 -9.513 1.00 0.00 O ATOM 465 CG2 THR A 34 4.150 6.819 -7.373 1.00 0.00 C ATOM 0 H THR A 34 2.169 5.579 -8.048 1.00 0.00 H new ATOM 0 HA THR A 34 2.384 8.091 -9.523 1.00 0.00 H new ATOM 0 HB THR A 34 4.615 7.996 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.816 5.984 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.176 6.806 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.602 7.629 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.670 5.868 -7.141 1.00 0.00 H new ATOM 473 N ARG A 35 2.670 5.071 -10.824 1.00 0.00 N ATOM 474 CA ARG A 35 2.654 4.322 -12.075 1.00 0.00 C ATOM 475 C ARG A 35 1.980 2.966 -11.888 1.00 0.00 C ATOM 476 O ARG A 35 1.891 2.455 -10.771 1.00 0.00 O ATOM 477 CB ARG A 35 4.079 4.129 -12.596 1.00 0.00 C ATOM 478 CG ARG A 35 4.165 4.035 -14.111 1.00 0.00 C ATOM 479 CD ARG A 35 5.585 4.272 -14.603 1.00 0.00 C ATOM 480 NE ARG A 35 5.644 4.407 -16.056 1.00 0.00 N ATOM 481 CZ ARG A 35 6.780 4.439 -16.745 1.00 0.00 C ATOM 482 NH1 ARG A 35 7.943 4.346 -16.117 1.00 0.00 N ATOM 483 NH2 ARG A 35 6.752 4.565 -18.066 1.00 0.00 N ATOM 0 H ARG A 35 2.656 4.491 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 35 2.082 4.894 -12.805 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.697 4.960 -12.256 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.497 3.222 -12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.825 3.051 -14.436 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.495 4.768 -14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.984 5.174 -14.138 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.221 3.444 -14.290 1.00 0.00 H new ATOM 0 HE ARG A 35 4.766 4.481 -16.570 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.968 4.250 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.813 4.371 -16.649 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.858 4.637 -18.553 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.624 4.590 -18.595 1.00 0.00 H new ATOM 497 N ILE A 36 1.509 2.389 -12.988 1.00 0.00 N ATOM 498 CA ILE A 36 0.844 1.092 -12.945 1.00 0.00 C ATOM 499 C ILE A 36 1.345 0.181 -14.060 1.00 0.00 C ATOM 500 O ILE A 36 1.362 0.564 -15.231 1.00 0.00 O ATOM 501 CB ILE A 36 -0.684 1.238 -13.064 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.242 1.991 -11.854 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.339 -0.129 -13.191 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.040 1.263 -10.544 1.00 0.00 C ATOM 0 H ILE A 36 1.575 2.799 -13.920 1.00 0.00 H new ATOM 0 HA ILE A 36 1.083 0.646 -11.979 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.910 1.812 -13.962 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.766 2.970 -11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.308 2.164 -12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.419 -0.009 -13.274 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.960 -0.633 -14.080 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.107 -0.727 -12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.460 1.855 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.540 0.295 -10.585 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.026 1.113 -10.371 1.00 0.00 H new ATOM 516 N THR A 37 1.751 -1.030 -13.691 1.00 0.00 N ATOM 517 CA THR A 37 2.251 -1.997 -14.659 1.00 0.00 C ATOM 518 C THR A 37 1.156 -2.418 -15.633 1.00 0.00 C ATOM 519 O THR A 37 0.110 -2.935 -15.241 1.00 0.00 O ATOM 520 CB THR A 37 2.812 -3.251 -13.963 1.00 0.00 C ATOM 521 OG1 THR A 37 3.809 -2.875 -13.006 1.00 0.00 O ATOM 522 CG2 THR A 37 3.414 -4.211 -14.978 1.00 0.00 C ATOM 0 H THR A 37 1.743 -1.364 -12.727 1.00 0.00 H new ATOM 0 HA THR A 37 3.054 -1.506 -15.209 1.00 0.00 H new ATOM 0 HB THR A 37 1.990 -3.754 -13.454 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.380 -2.434 -12.243 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.803 -5.089 -14.462 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.646 -4.518 -15.688 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.224 -3.715 -15.512 1.00 0.00 H new ATOM 530 N PRO A 38 1.399 -2.192 -16.932 1.00 0.00 N ATOM 531 CA PRO A 38 0.445 -2.541 -17.989 1.00 0.00 C ATOM 532 C PRO A 38 0.313 -4.049 -18.175 1.00 0.00 C ATOM 533 O PRO A 38 1.257 -4.718 -18.592 1.00 0.00 O ATOM 534 CB PRO A 38 1.050 -1.899 -19.240 1.00 0.00 C ATOM 535 CG PRO A 38 2.509 -1.809 -18.952 1.00 0.00 C ATOM 536 CD PRO A 38 2.625 -1.578 -17.470 1.00 0.00 C ATOM 0 HA PRO A 38 -0.562 -2.193 -17.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.858 -2.503 -20.127 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.622 -0.914 -19.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.022 -2.725 -19.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.968 -0.993 -19.511 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.521 -2.044 -17.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.680 -0.516 -17.232 1.00 0.00 H new ATOM 544 N GLY A 39 -0.866 -4.578 -17.862 1.00 0.00 N ATOM 545 CA GLY A 39 -1.100 -6.003 -18.002 1.00 0.00 C ATOM 546 C GLY A 39 -0.400 -6.814 -16.930 1.00 0.00 C ATOM 547 O GLY A 39 0.510 -7.589 -17.223 1.00 0.00 O ATOM 0 H GLY A 39 -1.663 -4.045 -17.514 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.172 -6.198 -17.959 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.756 -6.330 -18.983 1.00 0.00 H new ATOM 551 N SER A 40 -0.825 -6.634 -15.683 1.00 0.00 N ATOM 552 CA SER A 40 -0.229 -7.351 -14.562 1.00 0.00 C ATOM 553 C SER A 40 -1.100 -7.230 -13.315 1.00 0.00 C ATOM 554 O SER A 40 -2.158 -6.601 -13.341 1.00 0.00 O ATOM 555 CB SER A 40 1.173 -6.812 -14.272 1.00 0.00 C ATOM 556 OG SER A 40 1.134 -5.789 -13.293 1.00 0.00 O ATOM 0 H SER A 40 -1.579 -5.998 -15.424 1.00 0.00 H new ATOM 0 HA SER A 40 -0.157 -8.404 -14.833 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.814 -7.624 -13.929 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.614 -6.424 -15.190 1.00 0.00 H new ATOM 0 HG SER A 40 1.984 -5.770 -12.806 1.00 0.00 H new ATOM 562 N LYS A 41 -0.647 -7.838 -12.224 1.00 0.00 N ATOM 563 CA LYS A 41 -1.382 -7.799 -10.965 1.00 0.00 C ATOM 564 C LYS A 41 -1.802 -6.373 -10.624 1.00 0.00 C ATOM 565 O LYS A 41 -2.777 -6.158 -9.904 1.00 0.00 O ATOM 566 CB LYS A 41 -0.527 -8.375 -9.833 1.00 0.00 C ATOM 567 CG LYS A 41 -0.003 -9.772 -10.118 1.00 0.00 C ATOM 568 CD LYS A 41 0.154 -10.579 -8.840 1.00 0.00 C ATOM 569 CE LYS A 41 -0.056 -12.064 -9.089 1.00 0.00 C ATOM 570 NZ LYS A 41 -1.280 -12.323 -9.898 1.00 0.00 N ATOM 0 H LYS A 41 0.226 -8.364 -12.186 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.280 -8.406 -11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.317 -7.709 -9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.118 -8.397 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.686 -10.287 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.958 -9.704 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.149 -10.416 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.563 -10.229 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.813 -12.472 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.134 -12.585 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.696 -13.234 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.970 -11.562 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.029 -12.354 -10.907 1.00 0.00 H new ATOM 584 N ALA A 42 -1.061 -5.402 -11.146 1.00 0.00 N ATOM 585 CA ALA A 42 -1.359 -3.996 -10.900 1.00 0.00 C ATOM 586 C ALA A 42 -2.489 -3.509 -11.800 1.00 0.00 C ATOM 587 O ALA A 42 -3.609 -3.285 -11.340 1.00 0.00 O ATOM 588 CB ALA A 42 -0.113 -3.148 -11.108 1.00 0.00 C ATOM 0 H ALA A 42 -0.249 -5.563 -11.742 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.685 -3.895 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.350 -2.101 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.667 -3.472 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.238 -3.263 -12.133 1.00 0.00 H new ATOM 594 N ALA A 43 -2.188 -3.345 -13.084 1.00 0.00 N ATOM 595 CA ALA A 43 -3.180 -2.886 -14.048 1.00 0.00 C ATOM 596 C ALA A 43 -4.387 -3.817 -14.081 1.00 0.00 C ATOM 597 O ALA A 43 -5.531 -3.368 -14.029 1.00 0.00 O ATOM 598 CB ALA A 43 -2.558 -2.775 -15.433 1.00 0.00 C ATOM 0 H ALA A 43 -1.265 -3.523 -13.480 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.524 -1.900 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.310 -2.431 -16.143 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.733 -2.063 -15.405 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.185 -3.751 -15.744 1.00 0.00 H new ATOM 604 N ALA A 44 -4.123 -5.117 -14.170 1.00 0.00 N ATOM 605 CA ALA A 44 -5.188 -6.111 -14.209 1.00 0.00 C ATOM 606 C ALA A 44 -6.183 -5.895 -13.073 1.00 0.00 C ATOM 607 O ALA A 44 -7.332 -6.327 -13.152 1.00 0.00 O ATOM 608 CB ALA A 44 -4.603 -7.514 -14.140 1.00 0.00 C ATOM 0 H ALA A 44 -3.181 -5.506 -14.216 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.723 -5.997 -15.152 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.410 -8.246 -14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.937 -7.673 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.043 -7.629 -13.212 1.00 0.00 H new ATOM 614 N ALA A 45 -5.732 -5.224 -12.018 1.00 0.00 N ATOM 615 CA ALA A 45 -6.584 -4.950 -10.867 1.00 0.00 C ATOM 616 C ALA A 45 -7.291 -3.607 -11.015 1.00 0.00 C ATOM 617 O ALA A 45 -7.720 -3.009 -10.029 1.00 0.00 O ATOM 618 CB ALA A 45 -5.764 -4.978 -9.586 1.00 0.00 C ATOM 0 H ALA A 45 -4.782 -4.860 -11.937 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.345 -5.728 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.412 -4.772 -8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.309 -5.961 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.982 -4.221 -9.638 1.00 0.00 H new ATOM 624 N ASN A 46 -7.408 -3.139 -12.253 1.00 0.00 N ATOM 625 CA ASN A 46 -8.063 -1.865 -12.530 1.00 0.00 C ATOM 626 C ASN A 46 -7.330 -0.716 -11.844 1.00 0.00 C ATOM 627 O ASN A 46 -7.939 0.285 -11.465 1.00 0.00 O ATOM 628 CB ASN A 46 -9.520 -1.905 -12.064 1.00 0.00 C ATOM 629 CG ASN A 46 -10.415 -0.998 -12.886 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.272 -0.906 -14.105 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.344 -0.322 -12.220 1.00 0.00 N ATOM 0 H ASN A 46 -7.058 -3.622 -13.080 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.037 -1.698 -13.607 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.890 -2.928 -12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.572 -1.609 -11.016 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.975 0.304 -12.719 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.426 -0.429 -11.209 1.00 0.00 H new ATOM 638 N LEU A 47 -6.019 -0.867 -11.689 1.00 0.00 N ATOM 639 CA LEU A 47 -5.201 0.158 -11.050 1.00 0.00 C ATOM 640 C LEU A 47 -4.727 1.190 -12.068 1.00 0.00 C ATOM 641 O LEU A 47 -4.374 0.846 -13.197 1.00 0.00 O ATOM 642 CB LEU A 47 -3.997 -0.482 -10.357 1.00 0.00 C ATOM 643 CG LEU A 47 -4.312 -1.393 -9.169 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.109 -2.258 -8.827 1.00 0.00 C ATOM 645 CD2 LEU A 47 -4.738 -0.568 -7.963 1.00 0.00 C ATOM 0 H LEU A 47 -5.500 -1.689 -11.997 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.814 0.665 -10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.443 -1.061 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.335 0.313 -10.014 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.138 -2.048 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.351 -2.900 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.849 -2.875 -9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.264 -1.620 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.958 -1.232 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.933 0.111 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.629 0.008 -8.213 1.00 0.00 H new ATOM 657 N CYS A 48 -4.720 2.454 -11.662 1.00 0.00 N ATOM 658 CA CYS A 48 -4.288 3.537 -12.539 1.00 0.00 C ATOM 659 C CYS A 48 -3.685 4.682 -11.732 1.00 0.00 C ATOM 660 O CYS A 48 -4.132 4.999 -10.629 1.00 0.00 O ATOM 661 CB CYS A 48 -5.465 4.047 -13.371 1.00 0.00 C ATOM 662 SG CYS A 48 -5.264 5.741 -13.971 1.00 0.00 S ATOM 0 H CYS A 48 -5.008 2.755 -10.731 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.522 3.146 -13.209 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.607 3.385 -14.225 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.373 3.991 -12.770 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.309 6.082 -14.665 1.00 0.00 H new ATOM 668 N PRO A 49 -2.645 5.317 -12.291 1.00 0.00 N ATOM 669 CA PRO A 49 -1.958 6.437 -11.640 1.00 0.00 C ATOM 670 C PRO A 49 -2.820 7.693 -11.584 1.00 0.00 C ATOM 671 O PRO A 49 -3.050 8.346 -12.601 1.00 0.00 O ATOM 672 CB PRO A 49 -0.734 6.668 -12.531 1.00 0.00 C ATOM 673 CG PRO A 49 -1.135 6.148 -13.868 1.00 0.00 C ATOM 674 CD PRO A 49 -2.060 4.992 -13.603 1.00 0.00 C ATOM 0 HA PRO A 49 -1.712 6.215 -10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.473 7.725 -12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.140 6.142 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.634 6.920 -14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.264 5.828 -14.439 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.826 4.905 -14.374 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.522 4.044 -13.580 1.00 0.00 H new ATOM 682 N GLY A 50 -3.296 8.025 -10.388 1.00 0.00 N ATOM 683 CA GLY A 50 -4.128 9.203 -10.221 1.00 0.00 C ATOM 684 C GLY A 50 -5.134 9.048 -9.098 1.00 0.00 C ATOM 685 O GLY A 50 -5.710 10.031 -8.632 1.00 0.00 O ATOM 0 H GLY A 50 -3.121 7.499 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.494 10.066 -10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.656 9.406 -11.153 1.00 0.00 H new ATOM 689 N ASP A 51 -5.347 7.811 -8.663 1.00 0.00 N ATOM 690 CA ASP A 51 -6.290 7.531 -7.587 1.00 0.00 C ATOM 691 C ASP A 51 -5.746 8.016 -6.247 1.00 0.00 C ATOM 692 O ASP A 51 -4.562 8.327 -6.122 1.00 0.00 O ATOM 693 CB ASP A 51 -6.588 6.032 -7.518 1.00 0.00 C ATOM 694 CG ASP A 51 -7.721 5.625 -8.439 1.00 0.00 C ATOM 695 OD1 ASP A 51 -7.897 6.278 -9.489 1.00 0.00 O ATOM 696 OD2 ASP A 51 -8.433 4.652 -8.111 1.00 0.00 O ATOM 0 H ASP A 51 -4.879 6.986 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.214 8.068 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.690 5.473 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.842 5.762 -6.493 1.00 0.00 H new ATOM 701 N VAL A 52 -6.620 8.079 -5.247 1.00 0.00 N ATOM 702 CA VAL A 52 -6.228 8.526 -3.916 1.00 0.00 C ATOM 703 C VAL A 52 -6.398 7.411 -2.889 1.00 0.00 C ATOM 704 O VAL A 52 -7.505 6.921 -2.668 1.00 0.00 O ATOM 705 CB VAL A 52 -7.050 9.750 -3.469 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.655 10.175 -2.063 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.872 10.897 -4.452 1.00 0.00 C ATOM 0 H VAL A 52 -7.604 7.826 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.176 8.806 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.104 9.473 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.246 11.041 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.839 9.354 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.597 10.435 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.459 11.754 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.819 11.175 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.210 10.585 -5.440 1.00 0.00 H new ATOM 717 N ILE A 53 -5.293 7.016 -2.265 1.00 0.00 N ATOM 718 CA ILE A 53 -5.321 5.960 -1.261 1.00 0.00 C ATOM 719 C ILE A 53 -5.829 6.487 0.077 1.00 0.00 C ATOM 720 O ILE A 53 -5.082 7.106 0.837 1.00 0.00 O ATOM 721 CB ILE A 53 -3.926 5.339 -1.059 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.338 4.904 -2.403 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.005 4.159 -0.102 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.708 3.491 -2.795 1.00 0.00 C ATOM 0 H ILE A 53 -4.368 7.411 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.002 5.192 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.269 6.092 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.680 5.589 -3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.252 4.988 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.011 3.731 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.386 4.497 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.674 3.402 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.257 3.251 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.342 2.796 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.792 3.407 -2.871 1.00 0.00 H new ATOM 736 N LEU A 54 -7.102 6.238 0.360 1.00 0.00 N ATOM 737 CA LEU A 54 -7.711 6.685 1.608 1.00 0.00 C ATOM 738 C LEU A 54 -7.164 5.897 2.794 1.00 0.00 C ATOM 739 O LEU A 54 -6.728 6.476 3.788 1.00 0.00 O ATOM 740 CB LEU A 54 -9.232 6.535 1.539 1.00 0.00 C ATOM 741 CG LEU A 54 -9.921 7.218 0.357 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.401 6.872 0.329 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.725 8.726 0.425 1.00 0.00 C ATOM 0 H LEU A 54 -7.734 5.729 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.462 7.737 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.471 5.472 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.658 6.931 2.461 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.467 6.853 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.874 7.367 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.521 5.793 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.871 7.208 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.222 9.196 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.153 9.107 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.660 8.956 0.395 1.00 0.00 H new ATOM 755 N ALA A 55 -7.189 4.573 2.680 1.00 0.00 N ATOM 756 CA ALA A 55 -6.692 3.706 3.741 1.00 0.00 C ATOM 757 C ALA A 55 -5.884 2.546 3.168 1.00 0.00 C ATOM 758 O ALA A 55 -6.222 2.001 2.117 1.00 0.00 O ATOM 759 CB ALA A 55 -7.848 3.182 4.580 1.00 0.00 C ATOM 0 H ALA A 55 -7.548 4.078 1.864 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.033 4.295 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.462 2.536 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.382 4.020 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.529 2.614 3.946 1.00 0.00 H new ATOM 765 N ILE A 56 -4.816 2.174 3.865 1.00 0.00 N ATOM 766 CA ILE A 56 -3.961 1.078 3.425 1.00 0.00 C ATOM 767 C ILE A 56 -4.096 -0.129 4.347 1.00 0.00 C ATOM 768 O ILE A 56 -3.697 -0.082 5.511 1.00 0.00 O ATOM 769 CB ILE A 56 -2.482 1.505 3.371 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.304 2.687 2.416 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.608 0.336 2.943 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.950 3.352 2.522 1.00 0.00 C ATOM 0 H ILE A 56 -4.522 2.615 4.736 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.289 0.805 2.422 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.174 1.818 4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.451 2.342 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.079 3.426 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.566 0.654 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.716 -0.480 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.915 -0.005 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.895 4.181 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.808 3.728 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.169 2.627 2.291 1.00 0.00 H new ATOM 784 N ASP A 57 -4.660 -1.209 3.818 1.00 0.00 N ATOM 785 CA ASP A 57 -4.845 -2.431 4.592 1.00 0.00 C ATOM 786 C ASP A 57 -5.426 -2.120 5.968 1.00 0.00 C ATOM 787 O ASP A 57 -4.997 -2.681 6.976 1.00 0.00 O ATOM 788 CB ASP A 57 -3.516 -3.173 4.742 1.00 0.00 C ATOM 789 CG ASP A 57 -3.695 -4.583 5.270 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.701 -5.229 4.907 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.830 -5.040 6.044 1.00 0.00 O ATOM 0 H ASP A 57 -4.997 -1.263 2.857 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.548 -3.068 4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.014 -3.211 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.866 -2.615 5.417 1.00 0.00 H new ATOM 796 N GLY A 58 -6.405 -1.221 6.002 1.00 0.00 N ATOM 797 CA GLY A 58 -7.028 -0.849 7.260 1.00 0.00 C ATOM 798 C GLY A 58 -6.219 0.179 8.026 1.00 0.00 C ATOM 799 O GLY A 58 -6.205 0.176 9.257 1.00 0.00 O ATOM 0 H GLY A 58 -6.778 -0.744 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.024 -0.451 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.155 -1.739 7.876 1.00 0.00 H new ATOM 803 N PHE A 59 -5.541 1.059 7.297 1.00 0.00 N ATOM 804 CA PHE A 59 -4.724 2.096 7.916 1.00 0.00 C ATOM 805 C PHE A 59 -4.990 3.454 7.273 1.00 0.00 C ATOM 806 O PHE A 59 -4.388 3.801 6.257 1.00 0.00 O ATOM 807 CB PHE A 59 -3.240 1.744 7.796 1.00 0.00 C ATOM 808 CG PHE A 59 -2.857 0.498 8.541 1.00 0.00 C ATOM 809 CD1 PHE A 59 -3.248 0.314 9.858 1.00 0.00 C ATOM 810 CD2 PHE A 59 -2.107 -0.491 7.925 1.00 0.00 C ATOM 811 CE1 PHE A 59 -2.896 -0.832 10.546 1.00 0.00 C ATOM 812 CE2 PHE A 59 -1.753 -1.639 8.608 1.00 0.00 C ATOM 813 CZ PHE A 59 -2.149 -1.810 9.920 1.00 0.00 C ATOM 0 H PHE A 59 -5.541 1.075 6.277 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.993 2.155 8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.988 1.620 6.743 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.646 2.578 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.834 1.075 10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.795 -0.363 6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.205 -0.962 11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.167 -2.402 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.875 -2.707 10.455 1.00 0.00 H new ATOM 823 N GLY A 60 -5.897 4.219 7.873 1.00 0.00 N ATOM 824 CA GLY A 60 -6.228 5.530 7.346 1.00 0.00 C ATOM 825 C GLY A 60 -4.997 6.343 6.998 1.00 0.00 C ATOM 826 O GLY A 60 -4.032 6.381 7.762 1.00 0.00 O ATOM 0 H GLY A 60 -6.408 3.954 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.847 5.415 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.823 6.074 8.080 1.00 0.00 H new ATOM 830 N THR A 61 -5.027 6.994 5.839 1.00 0.00 N ATOM 831 CA THR A 61 -3.904 7.807 5.390 1.00 0.00 C ATOM 832 C THR A 61 -4.005 9.229 5.929 1.00 0.00 C ATOM 833 O THR A 61 -3.573 10.181 5.279 1.00 0.00 O ATOM 834 CB THR A 61 -3.827 7.858 3.852 1.00 0.00 C ATOM 835 OG1 THR A 61 -5.001 8.484 3.323 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.687 6.459 3.271 1.00 0.00 C ATOM 0 H THR A 61 -5.817 6.974 5.194 1.00 0.00 H new ATOM 0 HA THR A 61 -2.999 7.338 5.777 1.00 0.00 H new ATOM 0 HB THR A 61 -2.949 8.440 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.785 7.931 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.635 6.520 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.777 5.996 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.549 5.857 3.559 1.00 0.00 H new ATOM 844 N GLU A 62 -4.578 9.367 7.121 1.00 0.00 N ATOM 845 CA GLU A 62 -4.735 10.674 7.746 1.00 0.00 C ATOM 846 C GLU A 62 -3.483 11.056 8.531 1.00 0.00 C ATOM 847 O GLU A 62 -3.075 12.217 8.543 1.00 0.00 O ATOM 848 CB GLU A 62 -5.952 10.678 8.674 1.00 0.00 C ATOM 849 CG GLU A 62 -5.781 11.560 9.899 1.00 0.00 C ATOM 850 CD GLU A 62 -7.095 12.134 10.392 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.814 11.424 11.126 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.404 13.293 10.044 1.00 0.00 O ATOM 0 H GLU A 62 -4.941 8.589 7.672 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.887 11.409 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.824 11.014 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.155 9.657 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.319 10.980 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.098 12.376 9.662 1.00 0.00 H new ATOM 859 N SER A 63 -2.878 10.070 9.185 1.00 0.00 N ATOM 860 CA SER A 63 -1.675 10.302 9.976 1.00 0.00 C ATOM 861 C SER A 63 -0.542 9.385 9.524 1.00 0.00 C ATOM 862 O SER A 63 0.432 9.182 10.248 1.00 0.00 O ATOM 863 CB SER A 63 -1.965 10.079 11.462 1.00 0.00 C ATOM 864 OG SER A 63 -0.836 10.399 12.256 1.00 0.00 O ATOM 0 H SER A 63 -3.201 9.103 9.183 1.00 0.00 H new ATOM 0 HA SER A 63 -1.365 11.336 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.813 10.693 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.248 9.040 11.628 1.00 0.00 H new ATOM 0 HG SER A 63 -0.023 10.077 11.814 1.00 0.00 H new ATOM 870 N MET A 64 -0.680 8.834 8.323 1.00 0.00 N ATOM 871 CA MET A 64 0.332 7.939 7.773 1.00 0.00 C ATOM 872 C MET A 64 1.167 8.650 6.712 1.00 0.00 C ATOM 873 O MET A 64 0.650 9.059 5.672 1.00 0.00 O ATOM 874 CB MET A 64 -0.327 6.696 7.172 1.00 0.00 C ATOM 875 CG MET A 64 0.444 6.104 6.004 1.00 0.00 C ATOM 876 SD MET A 64 -0.433 4.742 5.212 1.00 0.00 S ATOM 877 CE MET A 64 -1.078 3.878 6.642 1.00 0.00 C ATOM 0 H MET A 64 -1.482 8.991 7.712 1.00 0.00 H new ATOM 0 HA MET A 64 0.992 7.634 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.431 5.939 7.949 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.333 6.953 6.840 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.636 6.884 5.268 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.414 5.751 6.355 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.279 2.839 6.380 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.346 3.914 7.449 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.002 4.355 6.969 1.00 0.00 H new ATOM 887 N THR A 65 2.461 8.793 6.981 1.00 0.00 N ATOM 888 CA THR A 65 3.366 9.455 6.051 1.00 0.00 C ATOM 889 C THR A 65 3.626 8.587 4.824 1.00 0.00 C ATOM 890 O THR A 65 3.312 7.397 4.816 1.00 0.00 O ATOM 891 CB THR A 65 4.712 9.793 6.720 1.00 0.00 C ATOM 892 OG1 THR A 65 5.384 8.589 7.104 1.00 0.00 O ATOM 893 CG2 THR A 65 4.502 10.675 7.942 1.00 0.00 C ATOM 0 H THR A 65 2.905 8.459 7.836 1.00 0.00 H new ATOM 0 HA THR A 65 2.879 10.380 5.742 1.00 0.00 H new ATOM 0 HB THR A 65 5.324 10.336 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.239 8.812 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.466 10.901 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.017 11.603 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.873 10.154 8.663 1.00 0.00 H new ATOM 901 N HIS A 66 4.202 9.190 3.789 1.00 0.00 N ATOM 902 CA HIS A 66 4.505 8.471 2.557 1.00 0.00 C ATOM 903 C HIS A 66 5.250 7.174 2.855 1.00 0.00 C ATOM 904 O HIS A 66 4.815 6.092 2.462 1.00 0.00 O ATOM 905 CB HIS A 66 5.337 9.348 1.621 1.00 0.00 C ATOM 906 CG HIS A 66 5.653 8.694 0.311 1.00 0.00 C ATOM 907 ND1 HIS A 66 6.737 7.989 -0.088 1.00 0.00 N flip ATOM 908 CD2 HIS A 66 4.799 8.728 -0.772 1.00 0.00 C flip ATOM 909 CE1 HIS A 66 6.521 7.612 -1.390 1.00 0.00 C flip ATOM 910 NE2 HIS A 66 5.344 8.070 -1.779 1.00 0.00 N flip ATOM 0 H HIS A 66 4.468 10.175 3.779 1.00 0.00 H new ATOM 0 HA HIS A 66 3.563 8.224 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.799 10.277 1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.269 9.614 2.119 1.00 0.00 H new ATOM 0 HD1 HIS A 66 7.561 7.777 0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.836 9.216 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.202 7.035 -1.998 1.00 0.00 H new ATOM 919 N ALA A 67 6.377 7.290 3.550 1.00 0.00 N ATOM 920 CA ALA A 67 7.182 6.127 3.901 1.00 0.00 C ATOM 921 C ALA A 67 6.352 5.091 4.652 1.00 0.00 C ATOM 922 O ALA A 67 6.512 3.888 4.448 1.00 0.00 O ATOM 923 CB ALA A 67 8.383 6.549 4.734 1.00 0.00 C ATOM 0 H ALA A 67 6.753 8.178 3.881 1.00 0.00 H new ATOM 0 HA ALA A 67 7.537 5.669 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.976 5.670 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.995 7.246 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.040 7.033 5.648 1.00 0.00 H new ATOM 929 N ASP A 68 5.467 5.567 5.521 1.00 0.00 N ATOM 930 CA ASP A 68 4.612 4.681 6.303 1.00 0.00 C ATOM 931 C ASP A 68 3.734 3.829 5.391 1.00 0.00 C ATOM 932 O ASP A 68 3.623 2.618 5.576 1.00 0.00 O ATOM 933 CB ASP A 68 3.737 5.495 7.258 1.00 0.00 C ATOM 934 CG ASP A 68 4.444 5.813 8.561 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.461 5.154 8.861 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.980 6.722 9.281 1.00 0.00 O ATOM 0 H ASP A 68 5.323 6.560 5.702 1.00 0.00 H new ATOM 0 HA ASP A 68 5.252 4.018 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.441 6.425 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.822 4.941 7.470 1.00 0.00 H new ATOM 941 N ALA A 69 3.112 4.471 4.408 1.00 0.00 N ATOM 942 CA ALA A 69 2.246 3.772 3.467 1.00 0.00 C ATOM 943 C ALA A 69 3.001 2.660 2.748 1.00 0.00 C ATOM 944 O ALA A 69 2.604 1.496 2.797 1.00 0.00 O ATOM 945 CB ALA A 69 1.660 4.752 2.461 1.00 0.00 C ATOM 0 H ALA A 69 3.192 5.474 4.243 1.00 0.00 H new ATOM 0 HA ALA A 69 1.432 3.316 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.015 4.216 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.077 5.508 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.467 5.235 1.910 1.00 0.00 H new ATOM 951 N GLN A 70 4.090 3.027 2.080 1.00 0.00 N ATOM 952 CA GLN A 70 4.899 2.059 1.349 1.00 0.00 C ATOM 953 C GLN A 70 5.393 0.952 2.275 1.00 0.00 C ATOM 954 O GLN A 70 5.666 -0.164 1.834 1.00 0.00 O ATOM 955 CB GLN A 70 6.089 2.754 0.685 1.00 0.00 C ATOM 956 CG GLN A 70 6.874 3.649 1.630 1.00 0.00 C ATOM 957 CD GLN A 70 7.758 4.639 0.897 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.188 5.329 -0.084 1.00 0.00 O flip ATOM 959 NE2 GLN A 70 8.941 4.782 1.209 1.00 0.00 N flip ATOM 0 H GLN A 70 4.432 3.987 2.030 1.00 0.00 H new ATOM 0 HA GLN A 70 4.273 1.610 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.758 1.998 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.729 3.351 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.179 4.193 2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.491 3.030 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.338 4.231 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.524 5.452 0.707 1.00 0.00 H new ATOM 968 N ASP A 71 5.506 1.270 3.560 1.00 0.00 N ATOM 969 CA ASP A 71 5.966 0.302 4.549 1.00 0.00 C ATOM 970 C ASP A 71 4.862 -0.694 4.890 1.00 0.00 C ATOM 971 O ASP A 71 5.135 -1.817 5.314 1.00 0.00 O ATOM 972 CB ASP A 71 6.433 1.019 5.817 1.00 0.00 C ATOM 973 CG ASP A 71 7.836 1.577 5.683 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.233 1.920 4.550 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.537 1.672 6.712 1.00 0.00 O ATOM 0 H ASP A 71 5.285 2.190 3.941 1.00 0.00 H new ATOM 0 HA ASP A 71 6.805 -0.246 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.743 1.831 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.400 0.325 6.657 1.00 0.00 H new ATOM 980 N ARG A 72 3.615 -0.274 4.704 1.00 0.00 N ATOM 981 CA ARG A 72 2.470 -1.128 4.994 1.00 0.00 C ATOM 982 C ARG A 72 2.124 -2.001 3.792 1.00 0.00 C ATOM 983 O ARG A 72 1.577 -3.094 3.943 1.00 0.00 O ATOM 984 CB ARG A 72 1.259 -0.278 5.385 1.00 0.00 C ATOM 985 CG ARG A 72 1.198 0.049 6.868 1.00 0.00 C ATOM 986 CD ARG A 72 1.880 1.373 7.175 1.00 0.00 C ATOM 987 NE ARG A 72 1.431 1.938 8.445 1.00 0.00 N ATOM 988 CZ ARG A 72 2.165 2.764 9.183 1.00 0.00 C ATOM 989 NH1 ARG A 72 3.377 3.118 8.780 1.00 0.00 N ATOM 990 NH2 ARG A 72 1.686 3.237 10.326 1.00 0.00 N ATOM 0 H ARG A 72 3.372 0.653 4.354 1.00 0.00 H new ATOM 0 HA ARG A 72 2.735 -1.777 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.280 0.652 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.348 -0.805 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.157 0.091 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.676 -0.748 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.960 1.226 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.677 2.081 6.371 1.00 0.00 H new ATOM 0 HE ARG A 72 0.503 1.685 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.748 2.756 7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.938 3.752 9.348 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.754 2.967 10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.250 3.871 10.892 1.00 0.00 H new ATOM 1004 N ILE A 73 2.448 -1.512 2.599 1.00 0.00 N ATOM 1005 CA ILE A 73 2.172 -2.248 1.372 1.00 0.00 C ATOM 1006 C ILE A 73 3.141 -3.413 1.200 1.00 0.00 C ATOM 1007 O ILE A 73 2.747 -4.512 0.810 1.00 0.00 O ATOM 1008 CB ILE A 73 2.260 -1.334 0.135 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.023 -0.439 0.046 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.410 -2.167 -1.129 1.00 0.00 C ATOM 1011 CD1 ILE A 73 1.290 0.898 -0.609 1.00 0.00 C ATOM 0 H ILE A 73 2.902 -0.610 2.457 1.00 0.00 H new ATOM 0 HA ILE A 73 1.156 -2.633 1.457 1.00 0.00 H new ATOM 0 HB ILE A 73 3.139 -0.697 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.247 -0.960 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.633 -0.271 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.471 -1.507 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.319 -2.766 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.548 -2.826 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.369 1.480 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.043 1.440 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.651 0.740 -1.625 1.00 0.00 H new ATOM 1023 N LYS A 74 4.413 -3.165 1.494 1.00 0.00 N ATOM 1024 CA LYS A 74 5.441 -4.193 1.376 1.00 0.00 C ATOM 1025 C LYS A 74 5.284 -5.247 2.467 1.00 0.00 C ATOM 1026 O LYS A 74 5.436 -6.442 2.216 1.00 0.00 O ATOM 1027 CB LYS A 74 6.833 -3.563 1.456 1.00 0.00 C ATOM 1028 CG LYS A 74 7.197 -3.067 2.845 1.00 0.00 C ATOM 1029 CD LYS A 74 8.614 -2.520 2.889 1.00 0.00 C ATOM 1030 CE LYS A 74 9.071 -2.268 4.317 1.00 0.00 C ATOM 1031 NZ LYS A 74 9.487 -3.526 4.997 1.00 0.00 N ATOM 0 H LYS A 74 4.757 -2.260 1.816 1.00 0.00 H new ATOM 0 HA LYS A 74 5.324 -4.679 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.573 -4.296 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.886 -2.729 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.496 -2.290 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.099 -3.883 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.292 -3.225 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.664 -1.591 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.904 -1.565 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.263 -1.801 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.792 -3.311 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.685 -4.188 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.275 -3.959 4.475 1.00 0.00 H new ATOM 1045 N ALA A 75 4.979 -4.796 3.680 1.00 0.00 N ATOM 1046 CA ALA A 75 4.798 -5.701 4.808 1.00 0.00 C ATOM 1047 C ALA A 75 3.349 -6.164 4.914 1.00 0.00 C ATOM 1048 O ALA A 75 2.937 -6.714 5.935 1.00 0.00 O ATOM 1049 CB ALA A 75 5.235 -5.027 6.100 1.00 0.00 C ATOM 0 H ALA A 75 4.852 -3.809 3.906 1.00 0.00 H new ATOM 0 HA ALA A 75 5.421 -6.580 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.094 -5.714 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.288 -4.753 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.637 -4.131 6.263 1.00 0.00 H new ATOM 1055 N ALA A 76 2.581 -5.936 3.854 1.00 0.00 N ATOM 1056 CA ALA A 76 1.178 -6.331 3.829 1.00 0.00 C ATOM 1057 C ALA A 76 1.035 -7.849 3.850 1.00 0.00 C ATOM 1058 O ALA A 76 2.021 -8.573 3.982 1.00 0.00 O ATOM 1059 CB ALA A 76 0.489 -5.751 2.602 1.00 0.00 C ATOM 0 H ALA A 76 2.906 -5.480 3.002 1.00 0.00 H new ATOM 0 HA ALA A 76 0.698 -5.935 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.558 -6.054 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.552 -4.663 2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.979 -6.120 1.701 1.00 0.00 H new ATOM 1065 N SER A 77 -0.200 -8.324 3.719 1.00 0.00 N ATOM 1066 CA SER A 77 -0.473 -9.756 3.728 1.00 0.00 C ATOM 1067 C SER A 77 -0.575 -10.299 2.306 1.00 0.00 C ATOM 1068 O SER A 77 -0.498 -9.545 1.335 1.00 0.00 O ATOM 1069 CB SER A 77 -1.767 -10.046 4.491 1.00 0.00 C ATOM 1070 OG SER A 77 -1.522 -10.176 5.880 1.00 0.00 O ATOM 0 H SER A 77 -1.027 -7.738 3.605 1.00 0.00 H new ATOM 0 HA SER A 77 0.356 -10.255 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.482 -9.242 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.219 -10.962 4.111 1.00 0.00 H new ATOM 0 HG SER A 77 -2.365 -10.359 6.345 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.748 -11.611 2.191 1.00 0.00 N ATOM 1077 CA TYR A 78 -0.858 -12.256 0.888 1.00 0.00 C ATOM 1078 C TYR A 78 -1.720 -11.427 -0.059 1.00 0.00 C ATOM 1079 O TYR A 78 -1.538 -11.468 -1.276 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.450 -13.658 1.038 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.140 -14.161 -0.210 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -1.419 -14.778 -1.225 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -3.513 -14.021 -0.373 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -2.045 -15.238 -2.367 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -4.147 -14.479 -1.511 1.00 0.00 C ATOM 1086 CZ TYR A 78 -3.409 -15.087 -2.505 1.00 0.00 C ATOM 1087 OH TYR A 78 -4.037 -15.545 -3.641 1.00 0.00 O ATOM 0 H TYR A 78 -0.815 -12.249 2.984 1.00 0.00 H new ATOM 0 HA TYR A 78 0.143 -12.335 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.654 -14.352 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.164 -13.656 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.351 -14.900 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.094 -13.546 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.470 -15.713 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.215 -14.362 -1.622 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.998 -15.362 -3.580 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.657 -10.675 0.509 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.547 -9.835 -0.284 1.00 0.00 C ATOM 1099 C GLN A 79 -3.567 -8.407 0.249 1.00 0.00 C ATOM 1100 O GLN A 79 -3.825 -8.178 1.432 1.00 0.00 O ATOM 1101 CB GLN A 79 -4.963 -10.413 -0.283 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.580 -10.508 1.104 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.933 -11.192 1.095 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.101 -12.253 0.494 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.907 -10.587 1.765 1.00 0.00 N ATOM 0 H GLN A 79 -2.820 -10.630 1.515 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.171 -9.815 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.600 -9.793 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.941 -11.406 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.905 -11.056 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.686 -9.506 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.723 -9.708 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.839 -11.001 1.795 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.293 -7.449 -0.629 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.280 -6.041 -0.247 1.00 0.00 C ATOM 1116 C LEU A 80 -4.649 -5.405 -0.461 1.00 0.00 C ATOM 1117 O LEU A 80 -5.182 -5.414 -1.572 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.221 -5.284 -1.051 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.096 -3.789 -0.755 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.449 -3.566 0.603 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.298 -3.094 -1.848 1.00 0.00 C ATOM 0 H LEU A 80 -3.077 -7.621 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.035 -5.980 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.253 -5.752 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.442 -5.407 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.097 -3.358 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.368 -2.496 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.060 -4.030 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.454 -4.012 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.219 -2.031 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.300 -3.529 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.803 -3.224 -2.805 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.213 -4.852 0.607 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.521 -4.210 0.535 1.00 0.00 C ATOM 1135 C CYS A 81 -6.392 -2.697 0.677 1.00 0.00 C ATOM 1136 O CYS A 81 -6.101 -2.186 1.760 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.443 -4.760 1.624 1.00 0.00 C ATOM 1138 SG CYS A 81 -7.960 -6.472 1.358 1.00 0.00 S ATOM 0 H CYS A 81 -4.785 -4.835 1.533 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.953 -4.430 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.934 -4.691 2.585 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.330 -4.129 1.687 1.00 0.00 H new ATOM 0 HG CYS A 81 -8.735 -6.848 2.332 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.608 -1.984 -0.423 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.515 -0.528 -0.422 1.00 0.00 C ATOM 1146 C LEU A 82 -7.847 0.104 -0.813 1.00 0.00 C ATOM 1147 O LEU A 82 -8.564 -0.413 -1.670 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.417 -0.067 -1.382 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.066 -0.769 -1.245 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.093 -0.267 -2.299 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.497 -0.561 0.151 1.00 0.00 C ATOM 0 H LEU A 82 -6.849 -2.390 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.265 -0.206 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.773 -0.205 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.264 1.003 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.216 -1.837 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.137 -0.779 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.496 -0.468 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.947 0.806 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.535 -1.067 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.362 0.505 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.186 -0.971 0.889 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.172 1.226 -0.180 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.416 1.932 -0.463 1.00 0.00 C ATOM 1165 C LYS A 83 -9.147 3.224 -1.227 1.00 0.00 C ATOM 1166 O LYS A 83 -8.179 3.932 -0.945 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.159 2.241 0.838 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.390 3.109 0.645 1.00 0.00 C ATOM 1169 CD LYS A 83 -11.799 3.793 1.939 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.275 4.161 1.932 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.147 2.954 1.947 1.00 0.00 N ATOM 0 H LYS A 83 -7.591 1.666 0.533 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.037 1.287 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.456 1.304 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.477 2.741 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.190 3.861 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.214 2.497 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.591 3.134 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.199 4.692 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.499 4.782 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.496 4.758 1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.816 2.999 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.560 2.100 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.675 2.918 2.842 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.009 3.527 -2.192 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.864 4.736 -2.993 1.00 0.00 C ATOM 1187 C ILE A 84 -11.182 5.498 -3.081 1.00 0.00 C ATOM 1188 O ILE A 84 -12.258 4.899 -3.081 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.375 4.413 -4.417 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.130 3.206 -4.978 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -7.876 4.152 -4.415 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.447 3.566 -5.628 1.00 0.00 C ATOM 0 H ILE A 84 -10.815 2.952 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.120 5.357 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.574 5.272 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.499 2.701 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.314 2.496 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.545 3.925 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.353 5.037 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.655 3.307 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.927 2.662 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.096 4.044 -4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.269 4.252 -6.456 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.091 6.821 -3.159 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.276 7.665 -3.251 1.00 0.00 C ATOM 1206 C ASP A 85 -12.775 7.746 -4.690 1.00 0.00 C ATOM 1207 O ASP A 85 -13.216 8.801 -5.146 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.971 9.068 -2.724 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.226 9.887 -2.497 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -14.292 9.498 -3.020 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.144 10.915 -1.794 1.00 0.00 O ATOM 0 H ASP A 85 -10.208 7.332 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.059 7.218 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.418 8.989 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.325 9.587 -3.433 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.701 6.625 -5.401 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.143 6.570 -6.789 1.00 0.00 C ATOM 1218 C ARG A 86 -12.864 7.890 -7.501 1.00 0.00 C ATOM 1219 O ARG A 86 -13.671 8.356 -8.305 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.636 6.246 -6.859 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.104 5.823 -8.242 1.00 0.00 C ATOM 1222 CD ARG A 86 -16.543 5.331 -8.217 1.00 0.00 C ATOM 1223 NE ARG A 86 -17.201 5.501 -9.509 1.00 0.00 N ATOM 1224 CZ ARG A 86 -18.429 5.064 -9.771 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -19.126 4.436 -8.836 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.960 5.257 -10.972 1.00 0.00 N ATOM 0 H ARG A 86 -12.339 5.743 -5.038 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.583 5.781 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.860 5.449 -6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.204 7.121 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.018 6.664 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.455 5.034 -8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.561 4.278 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.099 5.874 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.691 5.981 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.721 4.287 -7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.068 4.102 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.426 5.741 -11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.902 4.922 -11.173 1.00 0.00 H new ATOM 1240 N ALA A 87 -11.716 8.489 -7.199 1.00 0.00 N ATOM 1241 CA ALA A 87 -11.331 9.754 -7.811 1.00 0.00 C ATOM 1242 C ALA A 87 -11.374 9.664 -9.333 1.00 0.00 C ATOM 1243 O ALA A 87 -10.407 9.241 -9.966 1.00 0.00 O ATOM 1244 CB ALA A 87 -9.942 10.164 -7.344 1.00 0.00 C ATOM 0 H ALA A 87 -11.037 8.118 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.047 10.514 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.667 11.111 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.942 10.278 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.221 9.397 -7.628 1.00 0.00 H new ATOM 1250 N GLU A 88 -12.502 10.064 -9.913 1.00 0.00 N ATOM 1251 CA GLU A 88 -12.670 10.026 -11.361 1.00 0.00 C ATOM 1252 C GLU A 88 -12.142 11.305 -12.004 1.00 0.00 C ATOM 1253 O GLU A 88 -11.467 11.264 -13.033 1.00 0.00 O ATOM 1254 CB GLU A 88 -14.145 9.833 -11.720 1.00 0.00 C ATOM 1255 CG GLU A 88 -15.065 10.863 -11.087 1.00 0.00 C ATOM 1256 CD GLU A 88 -16.474 10.808 -11.645 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -17.060 9.705 -11.671 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -16.991 11.868 -12.055 1.00 0.00 O ATOM 0 H GLU A 88 -13.312 10.417 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.096 9.183 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.255 9.877 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.459 8.837 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.098 10.701 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.653 11.860 -11.247 1.00 0.00 H new ATOM 1265 N THR A 89 -12.454 12.442 -11.389 1.00 0.00 N ATOM 1266 CA THR A 89 -12.013 13.733 -11.901 1.00 0.00 C ATOM 1267 C THR A 89 -11.305 14.541 -10.819 1.00 0.00 C ATOM 1268 O THR A 89 -10.511 15.433 -11.117 1.00 0.00 O ATOM 1269 CB THR A 89 -13.196 14.554 -12.447 1.00 0.00 C ATOM 1270 OG1 THR A 89 -13.908 13.794 -13.430 1.00 0.00 O ATOM 1271 CG2 THR A 89 -12.711 15.859 -13.061 1.00 0.00 C ATOM 0 H THR A 89 -13.010 12.494 -10.536 1.00 0.00 H new ATOM 0 HA THR A 89 -11.315 13.529 -12.713 1.00 0.00 H new ATOM 0 HB THR A 89 -13.862 14.787 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.660 14.323 -13.771 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.564 16.422 -13.440 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.195 16.448 -12.303 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.026 15.643 -13.881 1.00 0.00 H new ATOM 1279 N ARG A 90 -11.597 14.222 -9.563 1.00 0.00 N ATOM 1280 CA ARG A 90 -10.988 14.918 -8.436 1.00 0.00 C ATOM 1281 C ARG A 90 -11.126 16.430 -8.593 1.00 0.00 C ATOM 1282 O ARG A 90 -10.169 17.177 -8.384 1.00 0.00 O ATOM 1283 CB ARG A 90 -9.511 14.540 -8.313 1.00 0.00 C ATOM 1284 CG ARG A 90 -9.273 13.263 -7.525 1.00 0.00 C ATOM 1285 CD ARG A 90 -7.822 12.815 -7.614 1.00 0.00 C ATOM 1286 NE ARG A 90 -6.959 13.575 -6.713 1.00 0.00 N ATOM 1287 CZ ARG A 90 -6.428 14.752 -7.023 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -6.671 15.302 -8.205 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -5.653 15.382 -6.150 1.00 0.00 N ATOM 0 H ARG A 90 -12.252 13.486 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.510 14.614 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.090 14.424 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.974 15.358 -7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.542 13.423 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.922 12.474 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.754 11.754 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.469 12.931 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.753 13.180 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.267 14.821 -8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.262 16.206 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.464 14.962 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.246 16.286 -6.389 1.00 0.00 H new ATOM 1303 N LEU A 91 -12.322 16.874 -8.964 1.00 0.00 N ATOM 1304 CA LEU A 91 -12.585 18.297 -9.150 1.00 0.00 C ATOM 1305 C LEU A 91 -13.292 18.884 -7.932 1.00 0.00 C ATOM 1306 O LEU A 91 -12.932 19.958 -7.451 1.00 0.00 O ATOM 1307 CB LEU A 91 -13.434 18.519 -10.402 1.00 0.00 C ATOM 1308 CG LEU A 91 -13.386 19.923 -11.006 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -13.695 20.970 -9.947 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -12.027 20.186 -11.638 1.00 0.00 C ATOM 0 H LEU A 91 -13.124 16.270 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.628 18.805 -9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.116 17.807 -11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -14.471 18.285 -10.160 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.145 19.989 -11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.656 21.963 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -14.691 20.794 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -12.959 20.905 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.011 21.190 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.250 20.101 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.845 19.456 -12.426 1.00 0.00 H new ATOM 1322 N TRP A 92 -14.297 18.171 -7.438 1.00 0.00 N ATOM 1323 CA TRP A 92 -15.053 18.620 -6.274 1.00 0.00 C ATOM 1324 C TRP A 92 -15.658 17.436 -5.528 1.00 0.00 C ATOM 1325 O TRP A 92 -16.548 16.756 -6.040 1.00 0.00 O ATOM 1326 CB TRP A 92 -16.157 19.589 -6.700 1.00 0.00 C ATOM 1327 CG TRP A 92 -16.672 20.435 -5.575 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -17.572 20.066 -4.617 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -16.317 21.793 -5.293 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -17.799 21.112 -3.757 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -17.040 22.183 -4.149 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -15.458 22.717 -5.894 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -16.930 23.457 -3.598 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -15.350 23.980 -5.346 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -16.081 24.341 -4.207 1.00 0.00 C ATOM 0 H TRP A 92 -14.608 17.280 -7.825 1.00 0.00 H new ATOM 0 HA TRP A 92 -14.366 19.136 -5.603 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -15.776 20.238 -7.488 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -16.984 19.021 -7.126 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -18.037 19.094 -4.546 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -18.430 21.094 -2.956 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -14.889 22.448 -6.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -17.495 23.738 -2.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -14.690 24.702 -5.804 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -15.973 25.336 -3.802 1.00 0.00 H new ATOM 1346 N SER A 93 -15.171 17.194 -4.315 1.00 0.00 N ATOM 1347 CA SER A 93 -15.662 16.089 -3.500 1.00 0.00 C ATOM 1348 C SER A 93 -15.970 16.557 -2.081 1.00 0.00 C ATOM 1349 O SER A 93 -15.077 16.886 -1.300 1.00 0.00 O ATOM 1350 CB SER A 93 -14.634 14.957 -3.464 1.00 0.00 C ATOM 1351 OG SER A 93 -13.466 15.351 -2.765 1.00 0.00 O ATOM 0 H SER A 93 -14.437 17.749 -3.875 1.00 0.00 H new ATOM 0 HA SER A 93 -16.583 15.719 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.070 14.081 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.372 14.667 -4.482 1.00 0.00 H new ATOM 0 HG SER A 93 -13.692 16.052 -2.119 1.00 0.00 H new ATOM 1357 N PRO A 94 -17.266 16.586 -1.737 1.00 0.00 N ATOM 1358 CA PRO A 94 -17.724 17.011 -0.410 1.00 0.00 C ATOM 1359 C PRO A 94 -17.357 16.007 0.678 1.00 0.00 C ATOM 1360 O PRO A 94 -16.929 16.389 1.767 1.00 0.00 O ATOM 1361 CB PRO A 94 -19.244 17.095 -0.569 1.00 0.00 C ATOM 1362 CG PRO A 94 -19.561 16.155 -1.681 1.00 0.00 C ATOM 1363 CD PRO A 94 -18.385 16.207 -2.616 1.00 0.00 C ATOM 0 HA PRO A 94 -17.262 17.948 -0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.755 16.808 0.350 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -19.562 18.110 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -19.716 15.144 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.478 16.449 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -18.210 15.244 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.536 16.937 -3.411 1.00 0.00 H new ATOM 1371 N GLN A 95 -17.528 14.724 0.375 1.00 0.00 N ATOM 1372 CA GLN A 95 -17.214 13.667 1.329 1.00 0.00 C ATOM 1373 C GLN A 95 -16.104 12.766 0.798 1.00 0.00 C ATOM 1374 O GLN A 95 -15.691 12.887 -0.355 1.00 0.00 O ATOM 1375 CB GLN A 95 -18.462 12.835 1.629 1.00 0.00 C ATOM 1376 CG GLN A 95 -19.019 12.114 0.412 1.00 0.00 C ATOM 1377 CD GLN A 95 -20.473 11.719 0.582 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -21.216 11.704 -0.519 1.00 0.00 O flip ATOM 1379 NE2 GLN A 95 -20.924 11.430 1.691 1.00 0.00 N flip ATOM 0 H GLN A 95 -17.882 14.392 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 95 -16.867 14.135 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -18.223 12.101 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -19.233 13.487 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -18.921 12.757 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -18.424 11.221 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -20.317 11.455 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -21.904 11.166 1.790 1.00 0.00 H new ATOM 1388 N VAL A 96 -15.624 11.864 1.647 1.00 0.00 N ATOM 1389 CA VAL A 96 -14.561 10.942 1.264 1.00 0.00 C ATOM 1390 C VAL A 96 -15.107 9.793 0.424 1.00 0.00 C ATOM 1391 O VAL A 96 -14.368 9.147 -0.319 1.00 0.00 O ATOM 1392 CB VAL A 96 -13.845 10.365 2.499 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -14.771 9.435 3.267 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -12.572 9.642 2.087 1.00 0.00 C ATOM 0 H VAL A 96 -15.954 11.752 2.605 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.845 11.513 0.673 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.571 11.190 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -14.248 9.037 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -15.651 9.988 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.079 8.613 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.079 9.241 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.820 8.826 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.903 10.341 1.584 1.00 0.00 H new ATOM 1404 N SER A 97 -16.407 9.544 0.546 1.00 0.00 N ATOM 1405 CA SER A 97 -17.053 8.470 -0.200 1.00 0.00 C ATOM 1406 C SER A 97 -18.560 8.474 0.037 1.00 0.00 C ATOM 1407 O SER A 97 -19.065 9.216 0.879 1.00 0.00 O ATOM 1408 CB SER A 97 -16.466 7.116 0.203 1.00 0.00 C ATOM 1409 OG SER A 97 -16.360 7.004 1.612 1.00 0.00 O ATOM 0 H SER A 97 -17.034 10.071 1.154 1.00 0.00 H new ATOM 0 HA SER A 97 -16.869 8.637 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.096 6.314 -0.182 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.482 6.994 -0.250 1.00 0.00 H new ATOM 0 HG SER A 97 -15.984 6.129 1.843 1.00 0.00 H new ATOM 1415 N SER A 98 -19.273 7.639 -0.713 1.00 0.00 N ATOM 1416 CA SER A 98 -20.723 7.548 -0.588 1.00 0.00 C ATOM 1417 C SER A 98 -21.167 6.094 -0.462 1.00 0.00 C ATOM 1418 O SER A 98 -20.433 5.175 -0.823 1.00 0.00 O ATOM 1419 CB SER A 98 -21.401 8.198 -1.796 1.00 0.00 C ATOM 1420 OG SER A 98 -21.038 9.563 -1.912 1.00 0.00 O ATOM 0 H SER A 98 -18.870 7.016 -1.413 1.00 0.00 H new ATOM 0 HA SER A 98 -21.020 8.080 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 98 -21.120 7.665 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 98 -22.483 8.113 -1.699 1.00 0.00 H new ATOM 0 HG SER A 98 -21.328 10.048 -1.111 1.00 0.00 H new ATOM 1426 N GLY A 99 -22.377 5.894 0.053 1.00 0.00 N ATOM 1427 CA GLY A 99 -22.899 4.550 0.218 1.00 0.00 C ATOM 1428 C GLY A 99 -23.950 4.467 1.308 1.00 0.00 C ATOM 1429 O GLY A 99 -25.152 4.513 1.046 1.00 0.00 O ATOM 0 H GLY A 99 -23.004 6.638 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -23.330 4.212 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -22.079 3.872 0.455 1.00 0.00 H new ATOM 1433 N PRO A 100 -23.496 4.339 2.564 1.00 0.00 N ATOM 1434 CA PRO A 100 -24.390 4.245 3.722 1.00 0.00 C ATOM 1435 C PRO A 100 -25.106 5.560 4.010 1.00 0.00 C ATOM 1436 O PRO A 100 -25.948 5.636 4.905 1.00 0.00 O ATOM 1437 CB PRO A 100 -23.444 3.888 4.872 1.00 0.00 C ATOM 1438 CG PRO A 100 -22.116 4.414 4.447 1.00 0.00 C ATOM 1439 CD PRO A 100 -22.077 4.277 2.950 1.00 0.00 C ATOM 0 HA PRO A 100 -25.186 3.517 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -23.769 4.343 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.409 2.811 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -21.994 5.455 4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -21.306 3.851 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.500 5.078 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.618 3.337 2.644 1.00 0.00 H new ATOM 1447 N SER A 101 -24.767 6.593 3.246 1.00 0.00 N ATOM 1448 CA SER A 101 -25.376 7.906 3.422 1.00 0.00 C ATOM 1449 C SER A 101 -24.886 8.565 4.708 1.00 0.00 C ATOM 1450 O SER A 101 -25.678 9.083 5.494 1.00 0.00 O ATOM 1451 CB SER A 101 -26.901 7.786 3.446 1.00 0.00 C ATOM 1452 OG SER A 101 -27.361 6.922 2.422 1.00 0.00 O ATOM 0 H SER A 101 -24.074 6.546 2.499 1.00 0.00 H new ATOM 0 HA SER A 101 -25.081 8.531 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 101 -27.224 7.409 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 101 -27.348 8.772 3.322 1.00 0.00 H new ATOM 0 HG SER A 101 -28.338 6.861 2.460 1.00 0.00 H new ATOM 1458 N SER A 102 -23.573 8.539 4.915 1.00 0.00 N ATOM 1459 CA SER A 102 -22.976 9.130 6.107 1.00 0.00 C ATOM 1460 C SER A 102 -21.476 9.338 5.917 1.00 0.00 C ATOM 1461 O SER A 102 -20.808 8.548 5.252 1.00 0.00 O ATOM 1462 CB SER A 102 -23.228 8.238 7.325 1.00 0.00 C ATOM 1463 OG SER A 102 -22.913 8.917 8.528 1.00 0.00 O ATOM 0 H SER A 102 -22.903 8.115 4.273 1.00 0.00 H new ATOM 0 HA SER A 102 -23.442 10.101 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.273 7.927 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 102 -22.627 7.332 7.247 1.00 0.00 H new ATOM 0 HG SER A 102 -23.084 8.327 9.291 1.00 0.00 H new ATOM 1469 N GLY A 103 -20.954 10.409 6.508 1.00 0.00 N ATOM 1470 CA GLY A 103 -19.538 10.703 6.393 1.00 0.00 C ATOM 1471 C GLY A 103 -18.950 11.238 7.683 1.00 0.00 C ATOM 1472 O GLY A 103 -18.174 12.194 7.670 1.00 0.00 O ATOM 0 H GLY A 103 -21.487 11.078 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -19.005 9.798 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -19.385 11.432 5.598 1.00 0.00 H new TER 1476 GLY A 103